(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H34N2O2 — CID 30897264

IUPAC(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C22H34N2O2/c1-26-16-4-5-17-8-14-24(15-9-17)20-18-6-2-3-7-19(18)22(21(20)25)10-12-23-13-11-22/h2-3,6-7,17,20-21,23,25H,4-5,8-16H2,1H3/t20-,21+/m1/s1
InChIKeyCHQPHDSGPPAXOS-RTWAWAEBSA-N
MW358.53 g/mol
LogP2.86
Rot. Bonds5

About (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 30897264) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID30897264
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C22H34N2O2/c1-26-16-4-5-17-8-14-24(15-9-17)20-18-6-2-3-7-19(18)22(21(20)25)10-12-23-13-11-22/h2-3,6-7,17,20-21,23,25H,4-5,8-16H2,1H3/t20-,21+/m1/s1
InChIKeyCHQPHDSGPPAXOS-RTWAWAEBSA-N
XLogP2.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 30897264) is (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COCCCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1.
What is the InChIKey of (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is CHQPHDSGPPAXOS-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-26-16-4-5-17-8-14-24(15-9-17)20-18-6-2-3-7-19(18)22(21(20)25)10-12-23-13-11-22/h2-3,6-7,17,20-21,23,25H,4-5,8-16H2,1H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 358.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(3-methoxypropyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 30897264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).